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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50032662'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032662
PNG
(4-[1-(1,1,2,3,3,6-Hexamethyl-indan-5-yl)-vinyl]-be...)
Show SMILES CC1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O2/c1-14-12-20-21(24(6,7)16(3)23(20,4)5)13-19(14)15(2)17-8-10-18(11-9-17)22(25)26/h8-13,16H,2H2,1,3-7H3,(H,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 300n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032662
PNG
(4-[1-(1,1,2,3,3,6-Hexamethyl-indan-5-yl)-vinyl]-be...)
Show SMILES CC1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O2/c1-14-12-20-21(24(6,7)16(3)23(20,4)5)13-19(14)15(2)17-8-10-18(11-9-17)22(25)26/h8-13,16H,2H2,1,3-7H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/a 176n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair